File:5-MeO-MiPT UB3LYP.png

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Summary

⧼wm-license-information-description⧽
English: Ball and bond-type visualization of isolated 5-MeO-MiPT molecule.
Atoms: White: Hydrogen, Black: Carbon, Red: Oxygen, Blue: Nitrogen
Molecule.svg
The geometry of this molecule have been calculated with B3LYP.
⧼wm-license-information-date⧽
⧼wm-license-information-source⧽ ⧼Wm-license-own-work⧽
⧼wm-license-information-author⧽ Meisam

Licencing

⧼wm-license-self-one-license⧽

Geometry in Z-matrix

C              
C                  1            B1
H                  2            B2    1            A1
C                  2            B3    1            A2    3            D1    0
N                  2            B4    1            A3    4            D2    0
H                  5            B5    2            A4    1            D3    0
C                  4            B6    2            A5    1            D4    0
H                  7            B7    4            A6    2            D5    0
H                  7            B8    4            A7    2            D6    0
C                  1            B9    4            A8    2            D7    0
H                 10           B10    1            A9    4            D8    0
N                  7           B11    4           A10    2            D9    0
O                 10           B12    1           A11    4           D10    0
C                 13           B13   10           A12    1           D11    0
H                 14           B14   13           A13   10           D12    0
H                 14           B15   13           A14   10           D13    0
H                 14           B16   13           A15   10           D14    0
C                 12           B17    7           A16    4           D15    0
H                 18           B18   12           A17    7           D16    0
H                 18           B19   12           A18    7           D17    0
C                 12           B20    7           A19    4           D18    0
H                 21           B21   12           A20    7           D19    0
H                 21           B22   12           A21    7           D20    0
H                 21           B23   12           A22    7           D21    0
C                 12           B24    7           A23    4           D22    0
H                 25           B25   12           A24    7           D23    0
C                 25           B26   12           A25    7           D24    0
H                 27           B27   25           A26   12           D25    0
H                 27           B28   25           A27   12           D26    0
H                 27           B29   25           A28   12           D27    0
C                 25           B30   12           A29    7           D28    0
H                 31           B31   25           A30   12           D29    0
H                 31           B32   25           A31   12           D30    0
H                 31           B33   25           A32   12           D31    0
C                 13           B34   10           A33    1           D32    0
C                 35           B35   13           A34   10           D33    0
H                 36           B36   35           A35   13           D34    0
C                 36           B37   35           A36   13           D35    0
H                 38           B38   36           A37   35           D36    0
C                  5           B39    2           A38    1           D37    0
  B1             2.25255988
  B2             1.08146917
  B3             1.37297237
  B4             1.38229906
  B5             1.00588485
  B6             1.50176880
  B7             1.09566360
  B8             1.09685663
  B9             1.40201940
  B10            1.08511257
  B11            2.50604084
  B12            2.34152570
  B13            1.41468592
  B14            1.09155719
  B15            1.09852744
  B16            1.09854199
  B17            1.46305771
  B18            1.10661582
  B19            1.09507093
  B20            1.45776029
  B21            1.09256938
  B22            1.10594130
  B23            1.09372564
  B24            1.47774137
  B25            1.09779737
  B26            1.53395324
  B27            1.09486806
  B28            1.09529139
  B29            1.09355140
  B30            1.54221159
  B31            1.09525541
  B32            1.09468034
  B33            1.09539852
  B34            1.37498259
  B35            1.41218664
  B36            1.08296896
  B37            1.39334527
  B38            1.08639345
  B39            1.38276164
  A1           167.19025702
  A2            38.05469798
  A3            72.40522972
  A4           125.42666240
  A5           126.94119655
  A6           109.12326912
  A7           110.54901324
  A8           133.54837978
  A9           121.98584124
  A10          145.10199951
  A11          151.19660658
  A12          150.89240563
  A13          106.08997683
  A14          111.98793490
  A15          111.96611977
  A16           34.60298966
  A17          112.65787130
  A18          108.09870400
  A19          100.56332313
  A20          110.49150297
  A21          113.95438743
  A22          109.78095702
  A23          141.93340484
  A24          104.76204172
  A25          111.15587000
  A26          110.09867080
  A27          112.25667268
  A28          110.37355708
  A29          115.06746477
  A30          110.43441775
  A31          111.52002558
  A32          111.62072719
  A33           32.50275356
  A34          123.57934798
  A35          120.43778553
  A36          120.67226650
  A37          120.21497402
  A38          108.90002201
  D1             0.97324907
  D2           179.84362700
  D3           177.95301041
  D4           178.39778656
  D5            18.24370336
  D6           134.99506458
  D7          -179.50953616
  D8            -0.17393709
  D9          -108.94590619
  D10          179.68504982
  D11            0.41201601
  D12          179.52054899
  D13          -61.73378528
  D14           60.77116321
  D15            8.11990963
  D16          123.40356124
  D17         -119.46378961
  D18          121.95755824
  D19          143.05818979
  D20          -95.04518520
  D21           25.40445714
  D22          -36.41955662
  D23          -22.00902835
  D24         -136.86508102
  D25          168.27091252
  D26          -72.55244555
  D27           48.41233180
  D28           95.61824406
  D29         -174.02776939
  D30          -54.36558505
  D31           66.52940176
  D32           -0.11765511
  D33         -179.98138994
  D34            0.03108329
  D35          179.90187641
  D36         -179.83594703
  D37            0.18471727

File history

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Date/TimeThumbnailDimensionsUserComment
current20:59, 10 September 2016Thumbnail for version as of 20:59, 10 September 20163,288 × 2,520 (508 KB)Meisam (talk | contribs)crop extra white space
20:56, 10 September 2016Thumbnail for version as of 20:56, 10 September 20165,754 × 2,925 (511 KB)Meisam (talk | contribs)=={{int:filedesc}}== {{Information |description={{en|1=Ball and bond-type visualization of isolated 5-MeO-MiPT molecule. <br>'''Atoms''': White: Hydrogen, Black: Carbon, Red: Oxygen, Blue: Nitrogen}} {{Molecular-geometry|B3LYP}} |date=2016-09-10 |s...
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